2H-1-Benzopyran-2-one,3-chloro-

CAS
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Purity
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CAS
92-45-5
Size
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Purity
>98.0%(GC)
Price
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Availability
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Catalog Number

ACM92455

Product Name

2H-1-Benzopyran-2-one,3-chloro-

Structure

Structure

CAS

92-45-5

Category

Heterocyclic Organic Compound

Synonyms

3-Chlorocoumarin, Coumarin, 3-chloro-, Ambcb5102979, 3-Chloro-2H-chromen-2-one, NSC54855, 2H-1-Benzopyran-2-one, 3-chloro-, 579572_ALDRICH, MolPort-002-130-138, AIDS124841, HMS1607G19, 3-Chloro-2H-1-benzopyran-2-one, AIDS-124841, CID96133, NSC 54855, ZINC00225812, C2297, 92-45-5

IUPAC Name

3-chlorochromen-2-one

Molecular Weight

180.5878

Molecular Formula

C9H5 Cl O2

Canonical SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)Cl

InChI Key

CKCOPMSBJBNBCQ-UHFFFAOYSA-N

Boiling Point

325.4ºC at 760 mmHg

Melting Point

121-125ºC(lit.)

Flash Point

175ºC

Density

1.4 g/cm³

Exact Mass

179.99800

Hazard Statements

Xn: Harmful;

H-Bond Acceptor

2

H-Bond Donor

0

Safety Description

26-36

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2H-1-Benzopyran-2-one,3-chloro?

The molecular formula is C9H5ClO2.

What is the molecular weight of 2H-1-Benzopyran-2-one,3-chloro?

The molecular weight is 180.59 g/mol.

What is the IUPAC name of 2H-1-Benzopyran-2-one,3-chloro?

The IUPAC name is 3-chlorochromen-2-one.

What is the InChI of 2H-1-Benzopyran-2-one,3-chloro?

The InChI is InChI=1S/C9H5ClO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H.

What is the InChIKey of 2H-1-Benzopyran-2-one,3-chloro?

The InChIKey is CKCOPMSBJBNBCQ-UHFFFAOYSA-N.

What is the canonical SMILES of 2H-1-Benzopyran-2-one,3-chloro?

The canonical SMILES is C1=CC=C2C(=C1)C=C(C(=O)O2)Cl.

What is the CAS number of 2H-1-Benzopyran-2-one,3-chloro?

The CAS number is 92-45-5.

What is the European Community (EC) number of 2H-1-Benzopyran-2-one,3-chloro?

The European Community (EC) number is 623-091-4.

Is 2H-1-Benzopyran-2-one,3-chloro a canonicalized compound?

Yes, 2H-1-Benzopyran-2-one,3-chloro is a canonicalized compound.

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